3-[3-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid

Systemtic Name: 3-[3-(3-chloranyl-4-methyl-phenyl)-5-oxidanylidene-2H-1,2,4-triazin-6-yl]propanoic acid Openeye Name: 3-[3-(3-chloro-4-methyl-phenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid CAS Name: 3-[3-(3-chloro-4-methylphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid IUPAC Name: 3-[3-(3-chloro-4-methylphenyl)-5-oxo-2H-1,2,4-triazin-6-yl]propanoic acid Traditional Name: 3-[3-(3-chloro-4-methyl-phenyl)-5-keto-2H-1,2,4-triazin-6-yl]propionic acid Formula: C13H12ClN3O3 MolecularWeight: 293.70568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=O)C(=NN2)CCC(=O)O)Cl

InChI

InChI=1S/C13H12ClN3O3/c1-7-2-3-8(6-9(7)14)12-15-13(20)10(16-17-12)4-5-11(18)19/h2-3,6H,4-5H2,1H3,(H,18,19)(H,15,17,20)